Geometry & MOs

Info

ID:	277744
PubChem CID:	103830724
Reduced:	BrNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-21.66
Dipole, Da:	1.77
IP(EA), eV:	-8.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol

Drug info:

PubChemData

Smile

C1C(CC2=CC=CC=C21)NCC3=CC4=C(C=C3Br)OCO4

DOS

IR

Vibrations